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CHEMDIV-ZINC06918037

 MMsINC code: MMs01062149
Type: Neutral
Formula: C17H10ClFO5S
SMILES:   Clc1ccc(S(=O)(=O)CC(=O)C2=Cc3cc(F)ccc3OC2=O)cc1
InChI:   InChI=1/C17H10ClFO5S/c18-11-1-4-13(5-2-11)25(22,23)9-15(20)14-8-10-7-12(19)3-6-16(10)24-17(14)21/h1-8H,9H2

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Potential Energy
Epot(MMFF94)=64.5415 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 380.779 g/mol  logS: -6.07624  SlogP: 2.8245  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0428779  Sterimol/B1: 2.51658  Sterimol/B2: 3.92969  Sterimol/B3: 4.60749
  Sterimol/B4: 4.83009  Sterimol/L: 18.5956 
 
 Surface and Volume Properties
  Accessible surface: 566.493  Positive charged surface: 221.566  Negative charged surface: 344.927  Volume: 299.875
  Hydrophobic surface: 429.736  Hydrophilic surface: 136.757
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.